5H-1-Pyrindinium, 6,7-dihydro-4-(((7-(((2-amino-4-thiazolyl)((1,4-dihydro-1,5-dihydroxy-4-oxo-2-pyridinyl)carbonyl)amino)acetyl)amino)-2-carboxy-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methyl)thio)-1-methyl-, hydroxide, inner salt, (6R-(6-alpha,7-beta))-
TL;DR: 5H-1-Pyrindinium, 6,7-dihydro-4-(((7-(((2-amino-4-thiazolyl)((1,4-dihydro-1,5-dihydroxy-4-oxo-2-pyridinyl)carbonyl)amino)acetyl)amino)-2-carboxy-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methyl)thio)-1-methyl-, hydroxide, inner salt, (6R-(6-alpha,7-beta))- (CAS 107837-12-7) is a chemical compound with molecular formula C28H27N7O8S3 and molecular weight 685.10834 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(6S,7S)-7-[[2-(2-amino-1,3-thiazol-4-yl)-2-[(1,5-dihydroxy-4-oxopyridine-2-carbonyl)amino]acetyl]amino]-3-[(1-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium-4-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Also Known As: 5H-1-Pyrindinium, 6,7-dihydro-4-(((7-(((2-amino-4-thiazolyl)((1,4-dihydro-1,5-dihydroxy-4-oxo-2-pyridinyl)carbonyl)amino)acetyl)amino)-2-carboxy-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methyl)thio)-1-methyl-, hydroxide, inner salt, (6R-(6-alpha,7-beta))-, (6S,7S)-7-[[2-(2-amino-1,3-thiazol-4-yl)-2-[(1,5-dihydroxy-4-oxopyridine-2-carbonyl)amino]acetyl]amino]-3-[(1-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium-4-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Technical Specifications
| Molecular Formula | C28H27N7O8S3 |
| Molecular Weight | 685.10834 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 301.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 8 |
| Exact Mass | 685.10834 Da |
| Heavy Atoms | 46 |
| Complexity | 1420.0 |
| SMILES | C[N+]1=C2CCCC2=C(C=C1)SCC3=C(N4[C@H]([C@H](C4=O)NC(=O)C(C5=CSC(=N5)N)NC(=O)C6=CC(=O)C(=CN6O)O)SC3)C(=O)[O-] |
| InChIKey | MEIQRNPBFBKDQZ-ZVTMKPAUSA-N |
Chemical Property Profile of 5H-1-Pyrindinium, 6,7-dihydro-4-(((7-(((2-amino-4-thiazolyl)((1,4-dihydro-1,5-dihydroxy-4-oxo-2-pyridinyl)carbonyl)amino)acetyl)amino)-2-carboxy-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methyl)thio)-1-methyl-, hydroxide, inner salt, (6R-(6-alpha,7-beta))-
Property Insights of 5H-1-Pyrindinium, 6,7-dihydro-4-(((7-(((2-amino-4-thiazolyl)((1,4-dihydro-1,5-dihydroxy-4-oxo-2-pyridinyl)carbonyl)amino)acetyl)amino)-2-carboxy-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methyl)thio)-1-methyl-, hydroxide, inner salt, (6R-(6-alpha,7-beta))-
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5H-1-Pyrindinium, 6,7-dihydro-4-(((7-(((2-amino-4-thiazolyl)((1,4-dihydro-1,5-dihydroxy-4-oxo-2-pyridinyl)carbonyl)amino)acetyl)amino)-2-carboxy-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methyl)thio)-1-methyl-, hydroxide, inner salt, (6R-(6-alpha,7-beta))-. The TPSA of 301.0 Ų indicates high polarity, suggesting 5H-1-Pyrindinium, 6,7-dihydro-4-(((7-(((2-amino-4-thiazolyl)((1,4-dihydro-1,5-dihydroxy-4-oxo-2-pyridinyl)carbonyl)amino)acetyl)amino)-2-carboxy-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methyl)thio)-1-methyl-, hydroxide, inner salt, (6R-(6-alpha,7-beta))- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5H-1-Pyrindinium, 6,7-dihydro-4-(((7-(((2-amino-4-thiazolyl)((1,4-dihydro-1,5-dihydroxy-4-oxo-2-pyridinyl)carbonyl)amino)acetyl)amino)-2-carboxy-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methyl)thio)-1-methyl-, hydroxide, inner salt, (6R-(6-alpha,7-beta))- has 5 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 5H-1-Pyrindinium, 6,7-dihydro-4-(((7-(((2-amino-4-thiazolyl)((1,4-dihydro-1,5-dihydroxy-4-oxo-2-pyridinyl)carbonyl)amino)acetyl)amino)-2-carboxy-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methyl)thio)-1-methyl-, hydroxide, inner salt, (6R-(6-alpha,7-beta))-?
The CAS number of 5H-1-Pyrindinium, 6,7-dihydro-4-(((7-(((2-amino-4-thiazolyl)((1,4-dihydro-1,5-dihydroxy-4-oxo-2-pyridinyl)carbonyl)amino)acetyl)amino)-2-carboxy-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methyl)thio)-1-methyl-, hydroxide, inner salt, (6R-(6-alpha,7-beta))- is 107837-12-7.
What is the molecular formula of 5H-1-Pyrindinium, 6,7-dihydro-4-(((7-(((2-amino-4-thiazolyl)((1,4-dihydro-1,5-dihydroxy-4-oxo-2-pyridinyl)carbonyl)amino)acetyl)amino)-2-carboxy-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methyl)thio)-1-methyl-, hydroxide, inner salt, (6R-(6-alpha,7-beta))-?
The molecular formula of 5H-1-Pyrindinium, 6,7-dihydro-4-(((7-(((2-amino-4-thiazolyl)((1,4-dihydro-1,5-dihydroxy-4-oxo-2-pyridinyl)carbonyl)amino)acetyl)amino)-2-carboxy-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methyl)thio)-1-methyl-, hydroxide, inner salt, (6R-(6-alpha,7-beta))- is C28H27N7O8S3.
What is the molecular weight of 5H-1-Pyrindinium, 6,7-dihydro-4-(((7-(((2-amino-4-thiazolyl)((1,4-dihydro-1,5-dihydroxy-4-oxo-2-pyridinyl)carbonyl)amino)acetyl)amino)-2-carboxy-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methyl)thio)-1-methyl-, hydroxide, inner salt, (6R-(6-alpha,7-beta))-?
The molecular weight of 5H-1-Pyrindinium, 6,7-dihydro-4-(((7-(((2-amino-4-thiazolyl)((1,4-dihydro-1,5-dihydroxy-4-oxo-2-pyridinyl)carbonyl)amino)acetyl)amino)-2-carboxy-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methyl)thio)-1-methyl-, hydroxide, inner salt, (6R-(6-alpha,7-beta))- is 685.10834 g/mol.
Where can I buy 5H-1-Pyrindinium, 6,7-dihydro-4-(((7-(((2-amino-4-thiazolyl)((1,4-dihydro-1,5-dihydroxy-4-oxo-2-pyridinyl)carbonyl)amino)acetyl)amino)-2-carboxy-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methyl)thio)-1-methyl-, hydroxide, inner salt, (6R-(6-alpha,7-beta))-?
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Does CoreyChem offer custom synthesis for 5H-1-Pyrindinium, 6,7-dihydro-4-(((7-(((2-amino-4-thiazolyl)((1,4-dihydro-1,5-dihydroxy-4-oxo-2-pyridinyl)carbonyl)amino)acetyl)amino)-2-carboxy-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methyl)thio)-1-methyl-, hydroxide, inner salt, (6R-(6-alpha,7-beta))-?
Yes, CoreyChem provides custom synthesis services for 5H-1-Pyrindinium, 6,7-dihydro-4-(((7-(((2-amino-4-thiazolyl)((1,4-dihydro-1,5-dihydroxy-4-oxo-2-pyridinyl)carbonyl)amino)acetyl)amino)-2-carboxy-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methyl)thio)-1-methyl-, hydroxide, inner salt, (6R-(6-alpha,7-beta))- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.